SCHEMBL17684271

SCHEMBL17684271

CC(C)(C)[Si](C)(C)OC1CCC(=Cc2cccc(Br)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
XDH P47989 2/20 0.38
EGFR P00533 1/20 0.37
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
CISD1 Q9NZ45 3/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PNP P00491 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 1/20 0.31
HSD17B3 P37058 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17685015 0.86 CYP1A2 (0.39) XDHEGFRMAOAMAOBPIM1
SCHEMBL6399661 0.80 HPGD (0.35) ALDH1A1NPSR1MAPTHTT
SCHEMBL17632847 0.76 AKR1C1 (0.37) FAAH
SCHEMBL19690272 0.73 DHFR (0.41) ALDH1A1KMT2A
SCHEMBL14722992 0.71 MCHR1 (0.33)
SCHEMBL17684518 0.69 HTR2A (0.34) MAPT
SCHEMBL17684427 0.69 HSD11B1 (0.56) HSD11B1XDHEGFRMAOAMAOB
SCHEMBL16761572 0.68
SCHEMBL367708 0.68 DHFR (0.38)
SCHEMBL23364990 0.68 CYP2C9 (0.40) FAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-05-12 US disclosed
EP-3009421-A1 GLYCINE TRANSPORTER INHIBITOR Taisho Pharmaceutical Co., Ltd. (JP) 2016-04-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR SLC1A2, SLC6A5, SLC18A2 HSD11B1 853/4885XDH 1451/4885EGFR 2676/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.